Geometry & MOs

Info

ID:

7482

PubChem CID:

73035

Reduced:

Na3S3N6O12H25C38 (1)

Stoich.:

A3B3C6D12E25F38 (1)

Weight, g/mol:

922.038567

ΔHf, kcal/mol:

-284.24

Dipole, Da:

36.36

IP(EA), eV:

 -7.77(-3.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trisodium;4-hydroxy-7-[[5-hydroxy-6-[(2-methylphenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(6-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

DOS

IR

Vibrations